Molecule card · MolClass #92576
AZM585
AZM585: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 92576
- InChIKey
- ZSIKBIFOAPITGF-UHFFFAOYSA-N
- Canonical SMILES
- ONC(=O)c1ccc(cc1)NS(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C13H12N2O4S/c16-13(14-17)10-6-8-11(9-7-10)15-20(18,19)12-4-2-1-3-5-12/h1-9,15,17H,(H,14,16)
- Stored Murcko scaffold
- S(Nc1ccccc1)c2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.682
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM585